Compound Detail
CHEMBL290855
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Basic Information
| ChEMBL ID | CHEMBL290855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTLFZKBHJPSVMV-SHARSMKWSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
1.88
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | Ki | 8.06 | 7.805 | 8.8 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 8.8 | nM | 8.06 | Binding affinity towards opioid receptor mu 1 | 1315868 |
| Mu-type opioid receptor | Ki | = | 28.0 | nM | 7.55 | Binding affinity towards opioid receptor mu 2 | 1315868 |
| Kappa-type opioid receptor | Ki | = | 110.0 | nM | 6.96 | Binding affinity towards opioid receptor kappa 1 | 1315868 |
| Kappa-type opioid receptor | Ki | = | 110.0 | nM | 6.96 | Binding affinity towards opioid receptor kappa 2 | 1315868 |
| Delta-type opioid receptor | Ki | = | 420.0 | nM | 6.38 | Binding affinity towards Opioid receptor delta 1 | 1315868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1315868 | 10.1021/jm00087a004 | Mus musculus | 4 |
| 1315868 | 10.1021/jm00087a004 | Mu-type opioid receptor | 2 |
| 1315868 | 10.1021/jm00087a004 | Kappa-type opioid receptor | 2 |
| 1315868 | 10.1021/jm00087a004 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine